N-[(4-fluorophenyl)methyl]-4-(2-methoxyethoxy)piperidine-1-carboxamide

C16H23FN2O3 — CID 91918293

IUPACN-[(4-fluorophenyl)methyl]-4-(2-methoxyethoxy)piperidine-1-carboxamide
SMILESCOCCOC1CCN(C(=O)NCc2ccc(F)cc2)CC1
InChIInChI=1S/C16H23FN2O3/c1-21-10-11-22-15-6-8-19(9-7-15)16(20)18-12-13-2-4-14(17)5-3-13/h2-5,15H,6-12H2,1H3,(H,18,20)
InChIKeyFELZJXCJIGUBEY-UHFFFAOYSA-N
MW310.37 g/mol
LogP2.16
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-4-(2-methoxyethoxy)piperidine-1-carboxamide

N-[(4-fluorophenyl)methyl]-4-(2-methoxyethoxy)piperidine-1-carboxamide (PubChem CID 91918293) has the molecular formula C16H23FN2O3 and a molecular weight of 310.37 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-(2-methoxyethoxy)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-(2-methoxyethoxy)piperidine-1-carboxamide
PubChem CID91918293
Molecular FormulaC16H23FN2O3
Molecular Weight310.37 g/mol
Exact Mass310.17
IUPAC NameN-[(4-fluorophenyl)methyl]-4-(2-methoxyethoxy)piperidine-1-carboxamide
SMILESCOCCOC1CCN(C(=O)NCc2ccc(F)cc2)CC1
InChIInChI=1S/C16H23FN2O3/c1-21-10-11-22-15-6-8-19(9-7-15)16(20)18-12-13-2-4-14(17)5-3-13/h2-5,15H,6-12H2,1H3,(H,18,20)
InChIKeyFELZJXCJIGUBEY-UHFFFAOYSA-N
XLogP2.16
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-fluorophenyl)methyl]-4-[(6-methoxypyrimidin-4-yl)amino]piperidine-1-carboxamide
CID 171336207
N-[(4-fluorophenyl)methyl]-4-pyridazin-3-yloxypiperidine-1-carboxamide
CID 90559393
ethyl 4-[4-[(4-fluorophenyl)methylcarbamoyl]piperazin-1-yl]piperidine-1-carboxylate
CID 113107632
N-[(4-fluorophenyl)methyl]-7-phenyl-1,4-thiazepane-4-carboxamide
CID 72720381
4,4-difluoro-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide
CID 154575378
N-[(4-fluorophenyl)methyl]-2-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide
CID 42508020
3-(5-chloropyrimidin-2-yl)oxy-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide
CID 119100545
N-benzyl-3-methoxypyrrolidine-1-carboxamide
CID 107653241
3-[6-(dimethylamino)pyridazin-3-yl]oxy-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide
CID 90639799
4-[cyclopropanecarbonyl(oxan-4-yl)amino]-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide
CID 91916297
(3S,4R)-4-(acetamidomethyl)-3-(dimethylamino)-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide
CID 91920907
N-[(4-fluorophenyl)methyl]-3-(2-methoxyethoxymethyl)-N'-methylpyrrolidine-1-carboximidamide
CID 111746011

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-(2-methoxyethoxy)piperidine-1-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-(2-methoxyethoxy)piperidine-1-carboxamide (CID 91918293) is N-[(4-fluorophenyl)methyl]-4-(2-methoxyethoxy)piperidine-1-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-(2-methoxyethoxy)piperidine-1-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-(2-methoxyethoxy)piperidine-1-carboxamide is COCCOC1CCN(C(=O)NCc2ccc(F)cc2)CC1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-(2-methoxyethoxy)piperidine-1-carboxamide?
The InChIKey is FELZJXCJIGUBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O3/c1-21-10-11-22-15-6-8-19(9-7-15)16(20)18-12-13-2-4-14(17)5-3-13/h2-5,15H,6-12H2,1H3,(H,18,20).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-(2-methoxyethoxy)piperidine-1-carboxamide?
N-[(4-fluorophenyl)methyl]-4-(2-methoxyethoxy)piperidine-1-carboxamide has a molecular weight of 310.37 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-(2-methoxyethoxy)piperidine-1-carboxamide is sourced from PubChem (CID 91918293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).